SCHEMBL7950720

SCHEMBL7950720

COC(=O)c1coc2ccc(OCc3ccccc3)cc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.79
MAOA P21397 7/20 0.79
PTGES O14684 1/20 0.52
PTGS2 P35354 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7956495 0.88 MAOB (0.79) MAOBMAOAL3MBTL1PKMCASP3
SCHEMBL15211605 0.85 MAOB (0.58) MAOBMAOACASP3SENP8SENP7
SCHEMBL7950756 0.82 MAOB (0.64) MAOBMAOA
SCHEMBL27516742 0.82 MAOB (0.58) MAOBMAOAPTGESPTGS2L3MBTL1
SCHEMBL24471022 0.82 MAOB (0.66) MAOBMAOAL3MBTL1PKMCASP3
SCHEMBL30569409 0.81 MAOB (0.60) MAOBMAOAL3MBTL1PKMCASP3
SCHEMBL24470811 0.81 MAOB (0.60) MAOBMAOAL3MBTL1PKMCASP3
SCHEMBL27516743 0.79 MAOA (0.57) MAOBMAOAL3MBTL1PKMCASP3
SCHEMBL26103188 0.79 MAOB (0.65) MAOBMAOACASP3SENP8SENP7
SCHEMBL20258227 0.77 ALDH1A1 (0.65) MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218427-B1 AS ENDOTHELIN RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. (JP) 2001-04-17 US disclosed
EP-0924207-A1 CHROMENE-3-CARBOXYLATE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-06-23 EP disclosed